N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide

C16H14N2O3S — CID 46664277

IUPACN-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H14N2O3S/c1-2-11-17-22(20,21)15-10-6-7-13(12-15)16(19)18-14-8-4-3-5-9-14/h1,3-10,12,17H,11H2,(H,18,19)
InChIKeyIZSPRGLVQMHQQM-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.85
Rot. Bonds5

About N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide

N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 46664277) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID46664277
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H14N2O3S/c1-2-11-17-22(20,21)15-10-6-7-13(12-15)16(19)18-14-8-4-3-5-9-14/h1,3-10,12,17H,11H2,(H,18,19)
InChIKeyIZSPRGLVQMHQQM-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55767178
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(2-propan-2-yloxyphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 39498618
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
3-(prop-2-ynylsulfamoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 46554106

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide (CID 46664277) is N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is IZSPRGLVQMHQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-2-11-17-22(20,21)15-10-6-7-13(12-15)16(19)18-14-8-4-3-5-9-14/h1,3-10,12,17H,11H2,(H,18,19).
What are the key properties of N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide?
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 314.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 46664277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).